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(3R)-7-methyl-3-(tosyloxy)oct-6-enyl pivalate
SpectraBase Compound ID IFDp0p0W7CT
InChI InChI=1S/C21H32O5S/c1-16(2)8-7-9-18(14-15-25-20(22)21(4,5)6)26-27(23,24)19-12-10-17(3)11-13-19/h8,10-13,18H,7,9,14-15H2,1-6H3/t18-/m1/s1
InChIKey MXVAAIBFANAXKQ-GOSISDBHSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H32O5S
Exact Mass 396.197045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfBoYtU8tTE
Name (3R)-7-methyl-3-(tosyloxy)oct-6-enyl pivalate
Alternate Name(s) (3R)-7-methyl-3-{[(4-methylphenyl)sulfonyl]oxy}-6-octenyl pivalate
CAS Registry Number 93041-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5S
InChI InChI=1S/C21H32O5S/c1-16(2)8-7-9-18(14-15-25-20(22)21(4,5)6)26-27(23,24)19-12-10-17(3)11-13-19/h8,10-13,18H,7,9,14-15H2,1-6H3/t18-/m1/s1
InChIKey MXVAAIBFANAXKQ-GOSISDBHSA-N
Molecular Weight 396.542 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)(CCOC(C(C)(C)C)=O)(CCC=C(C)C)[H]
SPLASH splash10-05fr-0920000000-48fc50720797496bec73
Source of Spectrum J-50-128-6
Wiley ID 1367421